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Molecule
Tricalcium Phosphate
CAS: 7758-87-4 · H3CaO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7758-87-4
- Molecular Formula
- H3CaO4P
- Molecular Mass
- 138.07 g/mol
Identifiers
CAS Registry Number
7758-87-4
SMILES
O=P(O)(O)O.[Ca]
InChI Key
UUVBYOGFRMMMQL-UHFFFAOYSA-N
InChI
InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
Names and Synonyms
- Tricalcium Phosphate Synonym
- Phosphoric acid, calcium salt (2:3) Synonym
- Calcium orthophosphate Synonym
- Calcium phosphate (Ca3(PO4)2) Synonym
- Tricalcium phosphate Synonym
- Tricalcium diphosphate Synonym
- Calcium phosphate (3:2) Synonym
- Calcium phosphate Synonym
- Tricalcium orthophosphate Synonym
- Calcium tertiary phosphate Synonym
- Phosphoric acid calcium(2+) salt (2:3) Synonym
- Tertiary calcium phosphate Synonym
- Bonarka Synonym
- Synthos Synonym
- Tricalcium phosphate (Ca3(PO4)2) Synonym
- α-Tricalcium phosphate Synonym
- β-Tricalcium phosphate Synonym
- Tribasic calcium phosphate Synonym
- Synthograft Synonym
- Posture Synonym
- TCP Synonym
- Calcium orthophosphate (Ca3(PO4)2) Synonym
- Posture (calcium supplement) Synonym
- TCP 10 Synonym
- Multifos Synonym
- β-Whitlockite Synonym
- β-TCP Synonym
- Apamicron AP 12C Synonym
- Ostram Synonym
- C 13-09SF Synonym
- Cerasorb Synonym
- Ceredex Synonym
- Osferion Synonym
- TCP 118FG Synonym
- Allogran-R Synonym
- Vitoss Synonym
- Calcium phosphate Ca0.75(PO4)0.5 Synonym
- C 13-09 Synonym
- Coveg Synonym
- Calipharm T Synonym
- Ossaplast Synonym
- Tricafos P Synonym
- TCP 10U Synonym
- DET 10 Synonym
- Osferion G1 Synonym
- Phos Calcium P 24 Synonym
- TricOs Synonym
- Cerasorb M Synonym
- Calciresorb Synonym
- Calcium phosphate (Ca10.5(PO4)7) Synonym
- JAX TCP Synonym
- Calcium phosphate (Ca1.5(PO4)) Synonym
- Cerasorb Curasan Synonym
- Versacal MP Synonym
- SuperPore Synonym
- Tetrabones Synonym
- Expandia R Synonym
- nanoXIM-TCP 201 Synonym
- α-Ca3(PO4)2 Synonym
- EPSolute Instant S Synonym
- Cafos MF Synonym
- Tri-Cafos 200-7 Synonym
- Calcium phosphate (Ca9(PO4)6) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.07 g/mol | CAS Common Chemistry |
| 138.072 g/mol | RDKit | |
| 140.088 g/mol | chempirical lib | |
| Density | 3.14 g/cm³ | CAS Common Chemistry |
| 3.14 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tricalcium_phosphate | CAS Common Chemistry |
| Canonical SMILES | [Ca].O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=UUVBYOGFRMMMQL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1670 °C | CAS Common Chemistry |
| Name | Tricalcium phosphate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -1.3094000000000001 | RDKit |
| -1.3094 | RDKit | |
| Molar Refractivity | 20.0169 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 137.939486186 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 138.07 g/mol; density = 3.140 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula H3CaO4P.
